2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoic acid

C8H12N2O5S — CID 4750204

IUPAC2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoic acid
SMILESCc1noc(C)c1S(=O)(=O)NC(C)C(=O)O
InChIInChI=1S/C8H12N2O5S/c1-4-7(6(3)15-9-4)16(13,14)10-5(2)8(11)12/h5,10H,1-3H3,(H,11,12)
InChIKeyWUEJTOKQYQKNEA-UHFFFAOYSA-N
MW248.26 g/mol
LogP0.04
Rot. Bonds4

About 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoic acid

2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoic acid (PubChem CID 4750204) has the molecular formula C8H12N2O5S and a molecular weight of 248.26 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoic acid.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoic acid
PubChem CID4750204
Molecular FormulaC8H12N2O5S
Molecular Weight248.26 g/mol
Exact Mass248.05
IUPAC Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoic acid
SMILESCc1noc(C)c1S(=O)(=O)NC(C)C(=O)O
InChIInChI=1S/C8H12N2O5S/c1-4-7(6(3)15-9-4)16(13,14)10-5(2)8(11)12/h5,10H,1-3H3,(H,11,12)
InChIKeyWUEJTOKQYQKNEA-UHFFFAOYSA-N
XLogP0.04
TPSA109.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoic acid?
The IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoic acid (CID 4750204) is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoic acid.
What is the SMILES notation for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoic acid?
The canonical SMILES for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoic acid is Cc1noc(C)c1S(=O)(=O)NC(C)C(=O)O.
What is the InChIKey of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoic acid?
The InChIKey is WUEJTOKQYQKNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O5S/c1-4-7(6(3)15-9-4)16(13,14)10-5(2)8(11)12/h5,10H,1-3H3,(H,11,12).
What are the key properties of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoic acid?
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoic acid has a molecular weight of 248.26 g/mol, XLogP of 0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoic acid is sourced from PubChem (CID 4750204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).